4-(1,3-benzodioxol-5-ylmethylamino)-3-bromanyl-benzenecarbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-bromanyl-benzenecarbonitrile Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-bromo-benzonitrile CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-bromobenzonitrile IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-bromobenzonitrile Traditional Name: 3-bromo-4-(piperonylamino)benzonitrile Formula: C15H11BrN2O2 MolecularWeight: 331.16404

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=C(C=C3)C#N)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C=C(C=C3)C#N)Br

InChI

InChI=1S/C15H11BrN2O2/c16-12-5-10(7-17)1-3-13(12)18-8-11-2-4-14-15(6-11)20-9-19-14/h1-6,18H,8-9H2